ChemSpider 2D Image | (2R)-[(4-Carbamimidoylphenyl)amino]{3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethyl-2-fluorophenyl}acetic acid | C24H33FN4O3

(2R)-[(4-Carbamimidoylphenyl)amino]{3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethyl-2-fluorophenyl}acetic acid

  • Molecular FormulaC24H33FN4O3
  • Average mass444.542 Da
  • Monoisotopic mass444.253662 Da
  • ChemSpider ID25060824

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-[(4-Carbamimidoylphenyl)amino]{3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethyl-2-fluorophenyl}acetic acid [ACD/IUPAC Name]
(2r)-[(4-Carbamimidoylphenyl)amino]{3-[3-(Dimethylamino)-2,2-Dimethylpropoxy]-5-Ethyl-2-Fluorophenyl}ethanoic Acid
(2R)-[(4-Carbamimidoylphenyl)amino]{3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethyl-2-fluorphenyl}essigsäure [German] [ACD/IUPAC Name]
Acide (2R)-[(4-carbamimidoylphényl)amino]{3-[3-(diméthylamino)-2,2-diméthylpropoxy]-5-éthyl-2-fluorophényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[[4-[(Z)-aminoiminomethyl]phenyl]amino]-3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethyl-2-fluoro-, (αR)- [ACD/Index Name]
I26

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 601.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 317.4±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 121.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.76
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 40.5±7.0 dyne/cm
Molar Volume: 375.6±7.0 cm3

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